Information card for entry 7003567

Structure parameters

• Common name: 1,4,8,11-Tetramesityl-1,4,6,8,11,12-hexaaza-5,7-diphosphonia- dispiro(4.1.4.1)-dodeca-2,6,9-triene-bis(trifluormethansulfonate)
• Chemical name: 1,4,8,11-Tetramesityl-1,4,6,8,11,12-hexaaza-5,7-diphosphonia- dispiro[4.1.4.1]-dodeca-2,6,9-triene-bis(trifluormethansulfonate)
• Formula: C44 H52 F12 N6 O12 P2 S4
• Calculated formula: C44 H52 F12 N6 O12 P2 S4
• SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)O.C1=CN([P+]2(N[P+]3(N2)N(C=CN3c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)O
• Title of publication: Phosphazene vs.diazaphospholene PN-bond cleavage in spirocyclic cyclodiphosphazenes
• Authors of publication: Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Schalley, Christoph A.; Weilandt, Torsten
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3478 - 3485
• a: 31.662 ± 0.002 Å
• b: 12.3344 ± 0.0013 Å
• c: 16.2491 ± 0.0017 Å
• α: 90°
• β: 108.536 ± 0.003°
• γ: 90°
• Cell volume: 6016.6 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1962
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2616
• Weighted residual factors for all reflections included in the refinement: 0.3094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No